CID 132136461

Fovinaciclib

Structural Information

Molecular Formula
C29H40N8OS
SMILES
CN1CCN(CC1)C2CCN(CC2)C3=CN=C(C=C3)NC4=NC=C5C(=N4)C(=C(S5)C(=O)N(C)C)C6CCCC6
InChI
InChI=1S/C29H40N8OS/c1-34(2)28(38)27-25(20-6-4-5-7-20)26-23(39-27)19-31-29(33-26)32-24-9-8-22(18-30-24)36-12-10-21(11-13-36)37-16-14-35(3)15-17-37/h8-9,18-21H,4-7,10-17H2,1-3H3,(H,30,31,32,33)
InChIKey
PGGPKYATZSPYKB-UHFFFAOYSA-N
Compound name
7-cyclopentyl-N,N-dimethyl-2-[[5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]thieno[3,2-d]pyrimidine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

548.30457 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.31185 226.2
[M+Na]+ 571.29379 228.4
[M-H]- 547.29729 235.4
[M+NH4]+ 566.33839 227.3
[M+K]+ 587.26773 221.5
[M+H-H2O]+ 531.30183 213.5
[M+HCOO]- 593.30277 230.5
[M+CH3COO]- 607.31842 229.7
[M+Na-2H]- 569.27924 218.3
[M]+ 548.30402 221.8
[M]- 548.30512 221.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.